- home
- Advanced Search
- Energy Research
- Energy Research
description Publicationkeyboard_double_arrow_right Article , Journal 2008 ItalyPublisher:Royal Society of Chemistry (RSC) Authors:C. ZAZZA;
C. ZAZZA
C. ZAZZA in OpenAIREA. AMADEI;
A. AMADEI
A. AMADEI in OpenAIREN. SANNA;
N. SANNA
N. SANNA in OpenAIREASCHI, MASSIMILIANO;
ASCHI, MASSIMILIANO
ASCHI, MASSIMILIANO in OpenAIREHere we report that at room temperature in acetonitrile after the reduction of the naphthalimide-site, a synthetic molecular thread undergoes a complete conformational change which makes possible an efficient conversion of chemical energy into mechanical work; such results point out the ability of the thread to act as a molecular device under electrochemical control.
Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2008Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della Ricerca - Università di Roma Tor vergataArticle . 2008Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/b804031a&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu16 citations 16 popularity Average influence Average impulse Top 10% Powered by BIP!
more_vert Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2008Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della Ricerca - Università di Roma Tor vergataArticle . 2008Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/b804031a&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2004 ItalyPublisher:AIP Publishing Authors:D'ABRAMO, Marco;
D'ALESSANDRO, Maira;D'ABRAMO, Marco
D'ABRAMO, Marco in OpenAIREAMADEI, andrea;
AMADEI, andrea
AMADEI, andrea in OpenAIREIn a recent paper [M. D’Alessandro, M. D’Abramo, G. Brancato, A. Di Nola, and A. Amadei, J. Phys. Chem. B 106, 11843 (2002)] we showed how to combine molecular dynamics simulations with the quasi-Gaussian entropy theory, in order to model the statistical mechanics and thermodynamics of ionic (water) solutions. In this paper we extend the method to treat nonspherical solutes, describe more thoroughly its theoretical basis and apply it to a set of more complex solute molecules in water (i.e., water, methane, ethane, methanol, and ethanol). Results show that this approach can really provide an excellent theoretical description of solute–solvent systems over a wide range of temperatures.
Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2004Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della ricerca- Università di Roma La SapienzaArticle . 2004Data sources: Archivio della ricerca- Università di Roma La SapienzaArchivio della Ricerca - Università di Roma Tor vergataArticle . 2004Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1063/1.1647530&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu10 citations 10 popularity Average influence Average impulse Top 10% Powered by BIP!
more_vert Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2004Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della ricerca- Università di Roma La SapienzaArticle . 2004Data sources: Archivio della ricerca- Università di Roma La SapienzaArchivio della Ricerca - Università di Roma Tor vergataArticle . 2004Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1063/1.1647530&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2018 ItalyPublisher:Royal Society of Chemistry (RSC) Funded by:NSF | PFC: Center for the Physi..., NIH | Early Events in Protein F..., NIH | Fast model systems for mi...NSF| PFC: Center for the Physics of Living Cells ,NIH| Early Events in Protein Folding ,NIH| Fast model systems for misfolding, binding and aggregationAuthors:R. Brian Dyer;
R. Brian Dyer
R. Brian Dyer in OpenAIREIsabella Daidone;
Isabella Daidone
Isabella Daidone in OpenAIREMartin Gruebele;
Martin Gruebele
Martin Gruebele in OpenAIRELaura Zanetti-Polzi;
+3 AuthorsLaura Zanetti-Polzi
Laura Zanetti-Polzi in OpenAIRER. Brian Dyer;
R. Brian Dyer
R. Brian Dyer in OpenAIREIsabella Daidone;
Isabella Daidone
Isabella Daidone in OpenAIREMartin Gruebele;
Martin Gruebele
Martin Gruebele in OpenAIRELaura Zanetti-Polzi;
Laura Zanetti-Polzi
Laura Zanetti-Polzi in OpenAIREAndrea Amadei;
Andrea Amadei
Andrea Amadei in OpenAIRECaitlin M. Davis;
Caitlin M. Davis;Caitlin M. Davis
Caitlin M. Davis in OpenAIREdoi: 10.1039/c8sc03786h
pmid: 30647892
pmc: PMC6301204
handle: 20.500.14243/420138 , 2108/243506 , 11697/132370
doi: 10.1039/c8sc03786h
pmid: 30647892
pmc: PMC6301204
handle: 20.500.14243/420138 , 2108/243506 , 11697/132370
We break the barrier between simulation and experiment by comparing identical computed and experimental infrared observables.
Chemical Science arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2018Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della Ricerca - Università di Roma Tor vergataArticle . 2018Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c8sc03786h&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 18 citations 18 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Chemical Science arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2018Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della Ricerca - Università di Roma Tor vergataArticle . 2018Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c8sc03786h&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2005 ItalyPublisher:American Chemical Society (ACS) Authors:DAIDONE, Isabella;
DAIDONE, Isabella
DAIDONE, Isabella in OpenAIRED'ABRAMO, Marco;
DI NOLA, Alfredo;D'ABRAMO, Marco
D'ABRAMO, Marco in OpenAIREAMADEI, andrea;
AMADEI, andrea
AMADEI, andrea in OpenAIREBy means of the conformational free energy surface and corresponding diffusion coefficients, as obtained by long time scale atomistic molecular dynamics simulations (mus time scale), we model the folding kinetics of alpha-helix and beta-hairpin peptides as a diffusive process over the free energy surface. The two model systems studied in this paper (the alpha-helical temporin L and the beta-hairpin prion protein H1 peptide) exhibit a funnel-like almost barrierless free energy profile, leading to nonexponential folding kinetics matching rather well the available experimental data. Moreover, using the free energy profile provided by Muñoz et al. [Muñoz et al. Nature 1997, 390: 196-199], this model was also applied to reproduce the two-state folding kinetics of the C-terminal beta-hairpin of protein GB1, yielding an exponential folding kinetics with a time constant (approximately 5 micros) in excellent agreement with the experimentally observed one (approximately 6 micros). Finally, the folding kinetics obtained by solving the diffusion equation, considering either a one-dimensional or a two-dimensional free energy surface, are also compared in order to understand the relevance of the possible kinetic coupling between conformational degrees of freedom in the folding process.
Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2005Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della ricerca- Università di Roma La SapienzaArticle . 2005Data sources: Archivio della ricerca- Università di Roma La SapienzaArchivio della Ricerca - Università di Roma Tor vergataArticle . 2005Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/ja053383f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu45 citations 45 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert Archivio della Ricer... arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2005Data sources: Archivio della Ricerca - Università di Roma Tor vergataArchivio della ricerca- Università di Roma La SapienzaArticle . 2005Data sources: Archivio della ricerca- Università di Roma La SapienzaArchivio della Ricerca - Università di Roma Tor vergataArticle . 2005Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/ja053383f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu